Geometry & MOs

Info

ID:	417597
PubChem CID:	135102188
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	3.64
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4(CCCC4)N

DOS

IR

Vibrations